Search
displaying 1000 best results Help
Search results for: basis set optimisation
-
Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol
PublicationThe electronic spectrum of alizarin (AZ) in methanol solution was measured and used as reference data for color prediction. The visible part of the spectrum was modelled by different DFT functionals within the TD-DFT framework. The results of a broad range of functionals applied for theoretical spectrum prediction were compared against experimental data by a direct color comparison. The tristimulus model of color expressed in terms...
-
Scattering From a Cylindrical Object of Arbitrary Cross Section With the Use of Field Matching Method
PublicationA simple and intuitive solution to scattering problems in shielded and open structures is presented. The main idea of the analysis is based on the direct field matching technique involving the usage of projection of the fields at the boundary on a fixed set of orthogonal basis functions. Different convex shapes and various obstacle materials are considered to verify the validity of the method in open and closed structures. The...
-
Metody strojenia regulatorów typu PID z wykorzystaniem technologii syntezy regulatorów od stanu
PublicationUkłady sterujące typu PID są jednymi z najbardziej popularnych regulatorów wykorzystywanych w układach regulacji. W związku z tym znanych jest szereg metod doboru wartości ich parametrów (nastaw). Obok różnych metod inżynierskich czy analitycznych strojenia tego typu regulatorów, dostępne są również podejścia bazujące na optymalizacji. Wskaźnikiem jakości znajdującym w nich zastosowanie jest np. całka z kwadratu uchybu. W artykule...
-
Marek Tobiszewski dr hab. inż.
PeopleBorn on April 7, 1984 in Gdańsk. In 2012, he defended his doctorate with honors, in 2017 he obtained his habilitation on the basis of the scientific achievement "Development of analytical procedures and solvents for the assessment of environmental nuisance". He has been working at the Department of Analytical Chemistry since 2012. His research interests includes analytical chemistry, especially the analytics of organic compounds...
-
The Doppler effect in a bistatic system for determining the position of moving targets
PublicationThe article presents the theoretical analysis and the results of numerical calculations of the Doppler effect it occurs in a system designed to determine the position and speed of a moving target. The transmitter is the source of the signal and it emits a sinusoidal, acoustic and continuous wave. Signal reflected off a moving target is received by four hydrophones. Based on the signals, four Doppler shifts are determined and inserted...
-
Quasirelativistic potential energy curves of NaRb dimer
Open Research DataThis data presents potential energy curves of NaRb dimer, that include spin-orbit interaction, in Hund's case (c). Calculated using Born-Oppenheimer approximation with relativistic effects included via large spin-orbit effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron...
-
Wojciech Siwicki dr inż.
People -
Applications of Tensor Analysis in Continuum Mechanics
PublicationA tensor field is a tensor-valued function of position in space. The use of tensor fields allows us to present physical laws in a clear, compact form. A byproduct is a set of simple and clear rules for the representation of vector differential operators such as gradient, divergence, and Laplacian in curvilinear coordinate systems. The tensorial nature of a quantity permits us to formulate transformation rules for its components...
-
Distributed representation of information on cyclic events
PublicationA representation of information on cyclic events has been proposed which is advantageous for computing environments where a distributed set of Receivers reacts to cyclic events generated by distributed sources. In such scenario no immanent central information repository exist on event timing or volume. Receivers are able to learn the event cycles without communicating with each other, merely on the basis of the fact that an event...
-
Application of the 2-deoxyglucose scaffold as a new chiral probe for elucidation of the absolute configuration of secondary alcohols
PublicationHerein, we present the application of 2-deoxy-D-glucose derivatives as chiral probes for elucidation of the absolute configuration of chiral secondary alcohols. The probes are attached to the studied molecules via glycosylation reaction and the resulting products are examined by a set of standard 2D NMR experiments. The absolute configuration of an oxymethine carbon atom binding the probe is established on a basis of a set of diagnostic...
-
An MOR Algorithm Based on the Immittance Zero and Pole Eigenvectors for Fast FEM Simulations of Two-Port Microwave Structures
PublicationThe aim of this article is to present a novel model-order reduction (MOR) algorithm for fast finite-element frequency-domain simulations of microwave two-port structures. The projection basis used to construct the reduced-order model (ROM) comprises two sets: singular vectors and regular vectors. The first set is composed of the eigenvectors associated with the poles of the finite-element method (FEM) state-space system, while...
-
A Framework of A Ship Domain-Based Near-Miss Detection Method Using Mamdani Neuro-Fuzzy Classification
PublicationSafety analysis of navigation over a given area may cover application of various risk measures for ship collisions. One of them is percentage of the so called near- miss situations (potential collision situations). In this article a method of automatic detection of such situations based on the data from Automatic Identification System (AIS), is proposed. The method utilizes input parameters such as: collision risk measure based...
-
MEASUREMENT O F HEALTHCARE SYSTEM EFFICIENCY IN OECD COUNTRIES
PublicationIncreased spending on healthcare systems in many countries tends to attract attention to their efficiency. The aim of this paper is to evaluate the efficiency of healthcare systems in the OECD countries and indicate causes of inefficiency by applying Data Envelopment Analysis (DEA) and using additive and super-efficiency models. The homogeneity of the sample is assessed and outliers are excluded. A ranking is established on the...
-
Propagation in the Open Cylindrical Guide of Arbitrary Cross Section With the Use of Field Matching Method
PublicationA simple solution to propagation problem in open waveguides and dielectric fibers of arbitrary convex cross section is presented. The idea of the analysis is based on the direct field matching technique involving the usage of the field projection at the boundary on a fixed set of orthogonal basis functions. A complex root tracing algorithm is utilized to find the propagation coefficients of the investigated guides. Different convex...
-
An Industrial Survey on Business Analysis Problems and Solutions
PublicationThe paper focuses on the problems reported by business analysts which have a negative impact on their work and on the applicability of available business analysis (BA) techniques as solutions to such problems. A unified set of BA techniques was developed on the basis of 3 industrial standards associated with IIBA, REQB and IREB certification schemes. A group of 8 business analysts was surveyed to list problems they encounter in...
-
Reliability assessment of truss towers using Monte Carlo Method, PEM and RSM
PublicationThe paper discusses the reliability assessment of simple random truss structures using three different probabilistic methodologies: the Monte Carlo method, the Point Estimate Method and the Response Surface Method. A benchmark truss structure example is analyzed. A set of numerical calculations of critical load is performed and the results are taken as the basis of advanced probabilistic calculations. Using the samples, numerical...
-
Thermophysical properties of the phase change material mixtures – preliminary studies on macromolecular hydrocarbons example.
PublicationThe aim of this work is a theoretical and experimental analysis of the macromolecular hydrocarbon mixtures composition and the impact on thermophysical parameters of the phase change materials (PCM) made from these mixtures. The analysis of the current state of knowledge extended by the author’s own studies have been presented. Thermophysical characteristics of the hydrocarbons and their mixtures have been specified, in such a...
-
Thermophysical Properties of the Phase Change Material Mixtures – Preliminary Studies on Macromolecular Hydrocarbons Example.
PublicationThe aim of this work is a theoretical and experimental analysis of the macromolecular hydrocarbons mixtures composition and the impact on thermophysical parameters of the phase change materials (PCM) made from these mixtures. The analysis of the current state of knowledge extended by the author's own studies have been presented. Thermophysical characteristics of the hydrocarbons and their mixtures have been specified, in such a...
-
Reliability assessment of truss towers using Monte Carlo Method, PEM and RSM
PublicationThe paper discusses reliability assessment of simple random truss structures using three different probabilistic methodologies: the Monte Carlo Method (MCM), the Point Estimate Method (PEM) and the Response Surface Method (RSM). A benchmark truss structure and a simplified full–size engineering tower are both analyzed. A set of ultimate load numerical calculations is performed and the results are taken as the basis of advanced...
-
Scattering and Propagation Analysis for the Multilayered Structures Based on Field Matching Technique
PublicationA semi-analytical method is employed to the analysis of scattering and guiding problems in multilayer dielectric structures. The approach allows to investigate objects with arbitrary convex cross section and is based on the direct field matching technique involving the usage of the field projection at the boundary on a fixed set of orthogonal basis functions. For the scattering problems the scattered field in the far zone is calculated...
-
DFT study of low-energy electron interaction with pyridine, pyrazine and their halo derivatives
PublicationIn this work, the density functional theory with B3LYP hybrid functional was employed to calculate quantities useful for estimating the behavior of pyridine, pyrazine and their derivatives monosubstituted with Cl or Br atom, when exposed to low-energy electron impact. Vertical electron affinities obtained in several Pople basis sets and in aug-cc-pVTZ basis set are reported. Although some of the investigated molecules do not form...
-
Józef Kotus dr hab. inż.
People -
Marcin Kujawa dr hab. inż.
PeopleI have graduated from the Faculty of Civil Engineering, Gdańsk University of Technology (https://pg.edu.pl/en) in 1999. I received my M.Sc. degree in civil engineering structures with specialization in bridge structures. Next, in 2007, I received my doctoral degree in technical sciences under the supervision of professor Czesław Szymczak (Scopus Author ID: 6603993146) at the Faculty of Civil Engineering, Gdańsk University of Technology....
-
Installations for Architects '23
e-Learning CoursesInstallations for architects is a set of meetings aimed to broaden students understanding of technical aspects of architecture.
-
2024 Installations for Architects kopia 1
e-Learning CoursesInstallations for architects is a set of meetings aimed to broaden students understanding of technical aspects of architecture.
-
2024 Installations for Architects
e-Learning CoursesInstallations for architects is a set of meetings aimed to broaden students understanding of technical aspects of architecture.
-
2024 Installations for Architects ARCH 1 sem Master
e-Learning CoursesInstallations for architects is a set of meetings aimed to broaden students understanding of technical aspects of architecture.
-
2024 Installations for Architects kopia 5
e-Learning CoursesInstallations for architects is a set of meetings aimed to broaden students understanding of technical aspects of architecture.
-
2024 Installations for Architects kopia 4
e-Learning CoursesInstallations for architects is a set of meetings aimed to broaden students understanding of technical aspects of architecture.
-
2024 Installations for Architects kopia 6
e-Learning CoursesInstallations for architects is a set of meetings aimed to broaden students understanding of technical aspects of architecture.
-
Analytical tools for functional assessment of architectural layouts
PublicationFunctional layout of the building, understood as a layout or set of the facility rooms (or groups of rooms) with a system of internal communication, creates an environment and a place of mutual relations between the occupants of the object. Achieving optimal (from the occupants’ point of view) spatial arrangement is possible through activities that often go beyond the stage of architectural design. Adopted in the architectural...
-
Local Texture Pattern Selection for Efficient Face Recognition and Tracking
PublicationThis paper describes the research aimed at finding the optimal configuration of the face recognition algorithm based on local texture descriptors (binary and ternary patterns). Since the identification module was supposed to be a part of the face tracking system developed for interactive wearable computer, proper feature selection, allowing for real-time operation, became particularly important. Our experiments showed that it is...
-
Performance analysis of power swing blocking feature in ABB 670 series impedance relays
PublicationThis paper presents test results of a distance protection’s PSD power swing detection feature in ABB 670 series relays. A RED670 relay was tested, which is part of the hydroelectric set protection in Żarnowiec Pumped Storage Plant. The power swing blocking feature’s performance was analysed on the basis of the results of object tests made with an Omicron digital tester. Also presented are simulation results that illustrate the...
-
Cough influence on fascia-mesh system built for a hernia repair - an experimental research
PublicationAn experimental approach to identify stronger and weaker fixation schemes in laparoscopic ventral hernia repair is presented in the paper. Two types of implants, whose mechanical properties are significantly different and five kinds of connectors are considered. Physical models of operated hernia have been built using those materials and porcine abdominal tissue. The models have been subjected to dynamic impulse load, similar to...
-
Extending transition curve in analytical design method
PublicationThe paper presents the problem of extending the transitional curves, using for this purpose an analytical design method. The basis for the analysis of numerical calculations were carried out for a wide set of parameters characterizing the standard geometric system. We considered an importance of the size of radius of the circular arc and return angle of route on the obtained results after the formulation of appropriate theoretical...
-
Dissociation pathways of protonated water clusters
PublicationRelative abundances of positively ionized water clusters formed in a low-pressure electrical discharge as function of reduced electric field were obtained by using drift cell and quadrupole mass spectrometer. It was noticed that some clusters say with n=4 were more abundant than others, at comparable drift conditions. Dissociation energies have been derived from equilibrium conditions for relative clusters abundances. The Hartree-Fock...
-
Machine Design 3, 2021/22
e-Learning CoursesThe course contains a set of practical excercises in machine design with the goal to integrate and consolidate the earlier competency in general machine design.
-
Jerzy Konorski dr hab. inż.
PeopleJerzy Konorski received his M. Sc. degree in telecommunications from Gdansk University of Technology, Poland, and his Ph. D. degree in computer science from the Polish Academy of Sciences, Warsaw, Poland. In 2007, he defended his D. Sc. thesis at the Faculty of Electronics, Telecommunications and Informatics, Gdansk University of Technology. He has authored over 150 papers, led scientific projects funded by the European Union,...
-
Monitoring the gas turbine start-up phase on the platform using a hierarchical model based on Multi-Layer Perceptron networks
PublicationVery often, the operation of diagnostic systems is related to the evaluation of process functionality, where the diagnostics is carried out using reference models prepared on the basis of the process description in the nominal state. The main goal of the work is to develop a hierarchical gas turbine reference model for the estimation of start-up parameters based on multi-layer perceptron neural networks. A functional decomposition...
-
Theoretical study of highly-excited states of KRb molecule
PublicationSemi-empirical adiabatic potential energy curves of highly excited states of the KRb molecule are calculated as a function of the internuclear distance R over a wide range from 3 to 150 a0. The diatomic molecule is treated as an effective two-electron system by using the large core pseudopotentials and core polarization potentials. All calculations are performed by using the nonrelativistic CASSCF/MRCI method with accurate basis...
-
A Population-Based Method with Selection of a Search Operator
PublicationThis paper presents a method based on a population in which the parameters of individuals can be processed by operators from various population-based algorithms. The mechanism of selecting operators is based on the introduction of an additional binary parameters vector located in each individual, on the basis of which it is decided which operators are to be used to modify individuals’ parameters. Thus, in the proposed approach,...
-
Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublicationWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
-
Autocorrelation function for the chosen effective potential of the diatomic silver anion
Open Research DataThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
-
Non-adiabatic coupling elements between the diatomic silver anion and neutral silver dimer plus continuum electron
Open Research DataThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
-
Rough Sets Applied to Mood of Music Recognition
PublicationWith the growth of accessible digital music libraries over the past decade, there is a need for research into automated systems for searching, organizing and recommending music. Mood of music is considered as one of the most intuitive criteria for listeners, thus this work is focused on the emotional content of music and its automatic recognition. The research study presented in this work contains an attempt to music emotion recognition...
-
Seafloor Characterisation Using Underwater Acoustic Devices
PublicationThe problem of seafloor characterisation is important in the context of management as well as investigation and protection of the marine environment. In the first part of the paper, a review of underwater acoustic technology and methodology used in seafloor characterisation is presented. It consists of the techniques based on the use of singlebeam echosounders and seismic sources, along with those developed for the use of sidescan...
-
Dissociation energies of protonated water clusters
PublicationRelative abundances of positively ionized water clusters formed in a low-pressure electrical discharge as function of reduced electric field were obtained by using drift cell and quadrupole mass spectrometer. It was noticed that some clusters say with n = 4 were more abundant than others, at comparable drift conditions. Dissociation energies have been derived from equilibrium conditions for relative clusters abundances. The Hartree-Fock...
-
Evolutionary music composition system with statistically modeled criteria
PublicationThe paper concerns an original evolutionary music composition system. On the basis of available solutions, we have selected a finite set of music features which appear to have a key impact on the quality of composed musical phrases. Evaluation criteria have been divided into rule-based and statistical sub-sets. Elements of the cost function are modeled using a Gaussian distribution defined by the expected value and variance obtained...
-
Rhetoric at school - a selection of the syllabi from the Academic Gymnasium in Gdańsk - transcription and photographs
Open Research DataThe following data set comprises a transcription (in txt and docx formats) and photographs (in jpg format) of the selected records from the Latin-language teaching syllabi termed 'Typus' or 'Catalogus lectionum' (an abbreviated title). Rhetoric is the main thematic criterion behind this choice. Various topics related to rhetoric have been taught not...
-
System for automatic singing voice recognition
PublicationW artykule przedstawiono system automatycznego rozpoznawania jakości i typu głosu śpiewaczego. Przedstawiono bazę danych oraz zaimplementowane parametry. Algorytmem decyzyjnym jest algorytm sztucznych sieci neuronowych. Wytrenowany system decyzyjny osiąga skuteczność ok. 90% w obydwu kategoriach rozpoznawania. Dodatkowo wykazano przy pomocy metod statystycznych, że wyniki działania systemu automatycznej oceny jakości technicznej...